USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 TYR OH : rot 12:sc= 0.122 USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= 1.02 F(o=0.2,f=1.1) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -111:sc= 0.268 (180deg=-0.00941) USER MOD Set 2.2: A 102 GLN : amide:sc= -0.0551 K(o=0.21,f=-3.1) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -1:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0.577 (180deg=0.552) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 148:sc= -1.04 (180deg=-1.34) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -116:sc= 1.23 USER MOD Single : A 87 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1) USER MOD Single : A 89 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.663 F(o=-1.9!,f=-0.66) USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 104 MET CE :methyl -135:sc= -0.256 (180deg=-1.09) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 49 14.557 -7.363 8.006 1.00 0.00 N ATOM 2 CA GLY A 49 15.726 -6.652 7.430 1.00 0.00 C ATOM 3 C GLY A 49 15.311 -5.553 6.472 1.00 0.00 C ATOM 4 O GLY A 49 16.010 -5.267 5.499 1.00 0.00 O ATOM 0 HA2 GLY A 49 16.322 -6.224 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.363 -7.366 6.908 1.00 0.00 H new ATOM 10 N LEU A 50 14.180 -4.917 6.750 1.00 0.00 N ATOM 11 CA LEU A 50 13.641 -3.901 5.858 1.00 0.00 C ATOM 12 C LEU A 50 14.111 -2.513 6.283 1.00 0.00 C ATOM 13 O LEU A 50 13.309 -1.601 6.484 1.00 0.00 O ATOM 14 CB LEU A 50 12.110 -3.972 5.846 1.00 0.00 C ATOM 15 CG LEU A 50 11.412 -3.078 4.816 1.00 0.00 C ATOM 16 CD1 LEU A 50 11.803 -3.480 3.405 1.00 0.00 C ATOM 17 CD2 LEU A 50 9.904 -3.149 4.989 1.00 0.00 C ATOM 0 H LEU A 50 13.620 -5.087 7.585 1.00 0.00 H new ATOM 0 HA LEU A 50 14.007 -4.090 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.814 -5.005 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.744 -3.706 6.838 1.00 0.00 H new ATOM 0 HG LEU A 50 11.733 -2.049 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.297 -2.833 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.882 -3.381 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.512 -4.515 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.422 -2.509 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.570 -4.177 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.636 -2.812 5.991 1.00 0.00 H new ATOM 29 N GLU A 51 15.417 -2.364 6.443 1.00 0.00 N ATOM 30 CA GLU A 51 15.990 -1.067 6.770 1.00 0.00 C ATOM 31 C GLU A 51 16.124 -0.231 5.508 1.00 0.00 C ATOM 32 O GLU A 51 16.074 0.998 5.553 1.00 0.00 O ATOM 33 CB GLU A 51 17.353 -1.223 7.450 1.00 0.00 C ATOM 34 CG GLU A 51 18.383 -1.957 6.611 1.00 0.00 C ATOM 35 CD GLU A 51 19.732 -2.032 7.290 1.00 0.00 C ATOM 36 OE1 GLU A 51 20.514 -1.064 7.181 1.00 0.00 O ATOM 37 OE2 GLU A 51 20.010 -3.057 7.946 1.00 0.00 O ATOM 0 H GLU A 51 16.096 -3.119 6.353 1.00 0.00 H new ATOM 0 HA GLU A 51 15.323 -0.561 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.739 -0.234 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.219 -1.757 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.027 -2.966 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.490 -1.454 5.650 1.00 0.00 H new ATOM 44 N TYR A 52 16.273 -0.915 4.381 1.00 0.00 N ATOM 45 CA TYR A 52 16.387 -0.250 3.094 1.00 0.00 C ATOM 46 C TYR A 52 15.028 -0.227 2.419 1.00 0.00 C ATOM 47 O TYR A 52 14.056 -0.734 2.984 1.00 0.00 O ATOM 48 CB TYR A 52 17.406 -0.958 2.200 1.00 0.00 C ATOM 49 CG TYR A 52 18.777 -1.076 2.825 1.00 0.00 C ATOM 50 CD1 TYR A 52 19.402 0.030 3.387 1.00 0.00 C ATOM 51 CD2 TYR A 52 19.445 -2.293 2.854 1.00 0.00 C ATOM 52 CE1 TYR A 52 20.653 -0.073 3.963 1.00 0.00 C ATOM 53 CE2 TYR A 52 20.698 -2.404 3.427 1.00 0.00 C ATOM 54 CZ TYR A 52 21.296 -1.290 3.982 1.00 0.00 C ATOM 55 OH TYR A 52 22.543 -1.394 4.557 1.00 0.00 O ATOM 0 H TYR A 52 16.318 -1.933 4.335 1.00 0.00 H new ATOM 0 HA TYR A 52 16.734 0.771 3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 52 17.037 -1.956 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 52 17.490 -0.416 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.901 0.987 3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.978 -3.166 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 52 21.124 0.797 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 52 21.206 -3.357 3.441 1.00 0.00 H new ATOM 0 HH TYR A 52 22.858 -2.319 4.489 1.00 0.00 H new ATOM 65 N ALA A 53 14.978 0.344 1.217 1.00 0.00 N ATOM 66 CA ALA A 53 13.734 0.499 0.472 1.00 0.00 C ATOM 67 C ALA A 53 12.796 1.455 1.201 1.00 0.00 C ATOM 68 O ALA A 53 12.228 1.124 2.241 1.00 0.00 O ATOM 69 CB ALA A 53 13.063 -0.849 0.220 1.00 0.00 C ATOM 0 H ALA A 53 15.798 0.711 0.734 1.00 0.00 H new ATOM 0 HA ALA A 53 13.972 0.927 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.139 -0.697 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.733 -1.487 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.837 -1.327 1.173 1.00 0.00 H new ATOM 75 N VAL A 54 12.654 2.653 0.665 1.00 0.00 N ATOM 76 CA VAL A 54 11.796 3.652 1.277 1.00 0.00 C ATOM 77 C VAL A 54 10.523 3.835 0.460 1.00 0.00 C ATOM 78 O VAL A 54 10.564 4.346 -0.661 1.00 0.00 O ATOM 79 CB VAL A 54 12.515 5.010 1.417 1.00 0.00 C ATOM 80 CG1 VAL A 54 11.674 5.984 2.231 1.00 0.00 C ATOM 81 CG2 VAL A 54 13.890 4.827 2.045 1.00 0.00 C ATOM 0 H VAL A 54 13.120 2.958 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 54 11.541 3.293 2.274 1.00 0.00 H new ATOM 0 HB VAL A 54 12.649 5.430 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.200 6.935 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.717 6.142 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.502 5.573 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.381 5.796 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 54 13.782 4.382 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.493 4.172 1.416 1.00 0.00 H new ATOM 91 N ALA A 55 9.407 3.359 1.002 1.00 0.00 N ATOM 92 CA ALA A 55 8.102 3.552 0.386 1.00 0.00 C ATOM 93 C ALA A 55 7.808 5.032 0.162 1.00 0.00 C ATOM 94 O ALA A 55 7.752 5.816 1.110 1.00 0.00 O ATOM 95 CB ALA A 55 7.023 2.930 1.258 1.00 0.00 C ATOM 0 H ALA A 55 9.383 2.832 1.875 1.00 0.00 H new ATOM 0 HA ALA A 55 8.109 3.061 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.049 3.078 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.215 1.863 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.031 3.403 2.240 1.00 0.00 H new ATOM 101 N GLU A 56 7.632 5.404 -1.097 1.00 0.00 N ATOM 102 CA GLU A 56 7.325 6.779 -1.461 1.00 0.00 C ATOM 103 C GLU A 56 5.842 7.056 -1.237 1.00 0.00 C ATOM 104 O GLU A 56 5.473 8.066 -0.640 1.00 0.00 O ATOM 105 CB GLU A 56 7.690 7.035 -2.927 1.00 0.00 C ATOM 106 CG GLU A 56 9.166 6.849 -3.237 1.00 0.00 C ATOM 107 CD GLU A 56 10.028 7.969 -2.693 1.00 0.00 C ATOM 108 OE1 GLU A 56 10.145 8.096 -1.460 1.00 0.00 O ATOM 109 OE2 GLU A 56 10.590 8.734 -3.505 1.00 0.00 O ATOM 0 H GLU A 56 7.697 4.766 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 56 7.912 7.448 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.109 6.363 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.399 8.052 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.504 5.901 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.300 6.786 -4.317 1.00 0.00 H new ATOM 116 N SER A 57 5.003 6.143 -1.726 1.00 0.00 N ATOM 117 CA SER A 57 3.550 6.229 -1.569 1.00 0.00 C ATOM 118 C SER A 57 2.904 4.887 -1.904 1.00 0.00 C ATOM 119 O SER A 57 3.589 3.936 -2.276 1.00 0.00 O ATOM 120 CB SER A 57 2.962 7.306 -2.484 1.00 0.00 C ATOM 121 OG SER A 57 3.392 8.601 -2.111 1.00 0.00 O ATOM 0 H SER A 57 5.312 5.320 -2.244 1.00 0.00 H new ATOM 0 HA SER A 57 3.342 6.492 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.256 7.108 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.874 7.260 -2.448 1.00 0.00 H new ATOM 0 HG SER A 57 3.972 8.539 -1.324 1.00 0.00 H new ATOM 127 N VAL A 58 1.588 4.818 -1.764 1.00 0.00 N ATOM 128 CA VAL A 58 0.831 3.624 -2.121 1.00 0.00 C ATOM 129 C VAL A 58 -0.140 3.960 -3.246 1.00 0.00 C ATOM 130 O VAL A 58 -0.872 4.942 -3.153 1.00 0.00 O ATOM 131 CB VAL A 58 0.045 3.078 -0.912 1.00 0.00 C ATOM 132 CG1 VAL A 58 -0.786 1.870 -1.311 1.00 0.00 C ATOM 133 CG2 VAL A 58 0.987 2.729 0.230 1.00 0.00 C ATOM 0 H VAL A 58 1.017 5.582 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 58 1.534 2.857 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.633 3.859 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.332 1.501 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.493 2.156 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.130 1.085 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.411 2.346 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.695 1.969 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.531 3.622 0.539 1.00 0.00 H new ATOM 143 N ILE A 59 -0.145 3.161 -4.308 1.00 0.00 N ATOM 144 CA ILE A 59 -0.961 3.486 -5.484 1.00 0.00 C ATOM 145 C ILE A 59 -1.899 2.343 -5.874 1.00 0.00 C ATOM 146 O ILE A 59 -2.723 2.487 -6.780 1.00 0.00 O ATOM 147 CB ILE A 59 -0.099 3.880 -6.716 1.00 0.00 C ATOM 148 CG1 ILE A 59 0.546 2.655 -7.395 1.00 0.00 C ATOM 149 CG2 ILE A 59 0.970 4.890 -6.321 1.00 0.00 C ATOM 150 CD1 ILE A 59 1.522 1.887 -6.530 1.00 0.00 C ATOM 0 H ILE A 59 0.394 2.298 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.559 4.347 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.771 4.337 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.245 1.977 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.064 2.987 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.563 5.153 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.494 5.786 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.619 4.455 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.923 1.044 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.338 2.544 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.009 1.518 -5.642 1.00 0.00 H new ATOM 162 N GLY A 60 -1.791 1.218 -5.187 1.00 0.00 N ATOM 163 CA GLY A 60 -2.625 0.080 -5.515 1.00 0.00 C ATOM 164 C GLY A 60 -3.189 -0.593 -4.285 1.00 0.00 C ATOM 165 O GLY A 60 -2.581 -0.541 -3.220 1.00 0.00 O ATOM 0 H GLY A 60 -1.145 1.071 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.444 0.406 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.042 -0.642 -6.086 1.00 0.00 H new ATOM 169 N LYS A 61 -4.340 -1.235 -4.433 1.00 0.00 N ATOM 170 CA LYS A 61 -4.997 -1.898 -3.314 1.00 0.00 C ATOM 171 C LYS A 61 -5.740 -3.141 -3.790 1.00 0.00 C ATOM 172 O LYS A 61 -6.408 -3.111 -4.821 1.00 0.00 O ATOM 173 CB LYS A 61 -5.986 -0.938 -2.654 1.00 0.00 C ATOM 174 CG LYS A 61 -6.679 -1.510 -1.431 1.00 0.00 C ATOM 175 CD LYS A 61 -7.735 -0.557 -0.902 1.00 0.00 C ATOM 176 CE LYS A 61 -8.357 -1.070 0.384 1.00 0.00 C ATOM 177 NZ LYS A 61 -9.485 -0.216 0.838 1.00 0.00 N ATOM 0 H LYS A 61 -4.839 -1.311 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.236 -2.196 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.458 -0.029 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.741 -0.651 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.141 -2.464 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.943 -1.709 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.288 0.421 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.512 -0.421 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.712 -2.089 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.596 -1.110 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.213 0.285 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.716 0.476 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.317 -0.811 1.027 1.00 0.00 H new ATOM 191 N ARG A 62 -5.607 -4.235 -3.051 1.00 0.00 N ATOM 192 CA ARG A 62 -6.379 -5.437 -3.333 1.00 0.00 C ATOM 193 C ARG A 62 -7.044 -5.951 -2.068 1.00 0.00 C ATOM 194 O ARG A 62 -6.376 -6.429 -1.152 1.00 0.00 O ATOM 195 CB ARG A 62 -5.499 -6.540 -3.934 1.00 0.00 C ATOM 196 CG ARG A 62 -4.980 -6.221 -5.322 1.00 0.00 C ATOM 197 CD ARG A 62 -6.121 -5.993 -6.296 1.00 0.00 C ATOM 198 NE ARG A 62 -5.653 -5.451 -7.575 1.00 0.00 N ATOM 199 CZ ARG A 62 -6.242 -4.441 -8.220 1.00 0.00 C ATOM 200 NH1 ARG A 62 -7.333 -3.869 -7.716 1.00 0.00 N ATOM 201 NH2 ARG A 62 -5.731 -4.002 -9.368 1.00 0.00 N ATOM 0 H ARG A 62 -4.974 -4.314 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.144 -5.170 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.652 -6.717 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.071 -7.467 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.350 -5.333 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.354 -7.040 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.642 -6.934 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.843 -5.306 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.826 -5.872 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.722 -4.202 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.780 -3.098 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.892 -4.437 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.178 -3.231 -9.863 1.00 0.00 H new ATOM 215 N VAL A 63 -8.359 -5.844 -2.027 1.00 0.00 N ATOM 216 CA VAL A 63 -9.146 -6.384 -0.933 1.00 0.00 C ATOM 217 C VAL A 63 -9.705 -7.732 -1.340 1.00 0.00 C ATOM 218 O VAL A 63 -10.423 -7.826 -2.332 1.00 0.00 O ATOM 219 CB VAL A 63 -10.322 -5.456 -0.564 1.00 0.00 C ATOM 220 CG1 VAL A 63 -11.123 -6.031 0.595 1.00 0.00 C ATOM 221 CG2 VAL A 63 -9.825 -4.063 -0.231 1.00 0.00 C ATOM 0 H VAL A 63 -8.911 -5.381 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.493 -6.477 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.980 -5.385 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.947 -5.359 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.521 -7.006 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.476 -6.140 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.672 -3.426 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.139 -4.114 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.306 -3.646 -1.094 1.00 0.00 H new ATOM 231 N GLY A 64 -9.362 -8.779 -0.607 1.00 0.00 N ATOM 232 CA GLY A 64 -9.896 -10.081 -0.929 1.00 0.00 C ATOM 233 C GLY A 64 -11.397 -10.118 -0.772 1.00 0.00 C ATOM 234 O GLY A 64 -11.921 -9.856 0.311 1.00 0.00 O ATOM 0 H GLY A 64 -8.732 -8.751 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.630 -10.341 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.443 -10.832 -0.281 1.00 0.00 H new ATOM 238 N ASP A 65 -12.088 -10.472 -1.844 1.00 0.00 N ATOM 239 CA ASP A 65 -13.542 -10.454 -1.857 1.00 0.00 C ATOM 240 C ASP A 65 -14.091 -11.551 -0.961 1.00 0.00 C ATOM 241 O ASP A 65 -15.166 -11.415 -0.385 1.00 0.00 O ATOM 242 CB ASP A 65 -14.073 -10.629 -3.284 1.00 0.00 C ATOM 243 CG ASP A 65 -13.543 -9.581 -4.248 1.00 0.00 C ATOM 244 OD1 ASP A 65 -12.467 -9.807 -4.843 1.00 0.00 O ATOM 245 OD2 ASP A 65 -14.199 -8.534 -4.430 1.00 0.00 O ATOM 0 H ASP A 65 -11.663 -10.776 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.875 -9.487 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.801 -11.620 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.162 -10.583 -3.269 1.00 0.00 H new ATOM 250 N ASP A 66 -13.332 -12.631 -0.828 1.00 0.00 N ATOM 251 CA ASP A 66 -13.742 -13.757 -0.001 1.00 0.00 C ATOM 252 C ASP A 66 -13.146 -13.641 1.403 1.00 0.00 C ATOM 253 O ASP A 66 -13.359 -14.495 2.260 1.00 0.00 O ATOM 254 CB ASP A 66 -13.305 -15.066 -0.662 1.00 0.00 C ATOM 255 CG ASP A 66 -13.805 -16.293 0.070 1.00 0.00 C ATOM 256 OD1 ASP A 66 -15.033 -16.482 0.149 1.00 0.00 O ATOM 257 OD2 ASP A 66 -12.967 -17.083 0.555 1.00 0.00 O ATOM 0 H ASP A 66 -12.427 -12.750 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.828 -13.750 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.670 -15.088 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.217 -15.097 -0.710 1.00 0.00 H new ATOM 262 N GLY A 67 -12.416 -12.562 1.641 1.00 0.00 N ATOM 263 CA GLY A 67 -11.772 -12.380 2.929 1.00 0.00 C ATOM 264 C GLY A 67 -10.265 -12.486 2.834 1.00 0.00 C ATOM 265 O GLY A 67 -9.568 -12.515 3.851 1.00 0.00 O ATOM 0 H GLY A 67 -12.257 -11.811 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.041 -11.404 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.144 -13.129 3.628 1.00 0.00 H new ATOM 269 N LYS A 68 -9.767 -12.548 1.607 1.00 0.00 N ATOM 270 CA LYS A 68 -8.338 -12.593 1.346 1.00 0.00 C ATOM 271 C LYS A 68 -7.696 -11.304 1.871 1.00 0.00 C ATOM 272 O LYS A 68 -8.310 -10.237 1.822 1.00 0.00 O ATOM 273 CB LYS A 68 -8.126 -12.757 -0.166 1.00 0.00 C ATOM 274 CG LYS A 68 -6.809 -13.398 -0.572 1.00 0.00 C ATOM 275 CD LYS A 68 -5.654 -12.419 -0.539 1.00 0.00 C ATOM 276 CE LYS A 68 -4.435 -12.994 -1.244 1.00 0.00 C ATOM 277 NZ LYS A 68 -3.263 -12.083 -1.180 1.00 0.00 N ATOM 0 H LYS A 68 -10.343 -12.568 0.766 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.869 -13.435 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.942 -13.357 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.193 -11.775 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.593 -14.232 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.903 -13.810 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.949 -11.486 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.403 -12.181 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.174 -13.950 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.681 -13.192 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.448 -12.533 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.489 -11.191 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.030 -11.887 -0.186 1.00 0.00 H new ATOM 291 N THR A 69 -6.472 -11.412 2.372 1.00 0.00 N ATOM 292 CA THR A 69 -5.795 -10.292 3.017 1.00 0.00 C ATOM 293 C THR A 69 -5.665 -9.089 2.082 1.00 0.00 C ATOM 294 O THR A 69 -5.325 -9.234 0.905 1.00 0.00 O ATOM 295 CB THR A 69 -4.394 -10.712 3.488 1.00 0.00 C ATOM 296 OG1 THR A 69 -4.482 -11.926 4.248 1.00 0.00 O ATOM 297 CG2 THR A 69 -3.761 -9.621 4.336 1.00 0.00 C ATOM 0 H THR A 69 -5.923 -12.271 2.344 1.00 0.00 H new ATOM 0 HA THR A 69 -6.405 -10.001 3.872 1.00 0.00 H new ATOM 0 HB THR A 69 -3.769 -10.875 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.587 -12.192 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.770 -9.940 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.675 -8.707 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.384 -9.432 5.210 1.00 0.00 H new ATOM 305 N ILE A 70 -5.949 -7.907 2.621 1.00 0.00 N ATOM 306 CA ILE A 70 -5.883 -6.674 1.855 1.00 0.00 C ATOM 307 C ILE A 70 -4.436 -6.236 1.675 1.00 0.00 C ATOM 308 O ILE A 70 -3.759 -5.870 2.638 1.00 0.00 O ATOM 309 CB ILE A 70 -6.676 -5.544 2.545 1.00 0.00 C ATOM 310 CG1 ILE A 70 -8.127 -5.975 2.773 1.00 0.00 C ATOM 311 CG2 ILE A 70 -6.621 -4.270 1.711 1.00 0.00 C ATOM 312 CD1 ILE A 70 -8.970 -4.935 3.482 1.00 0.00 C ATOM 0 H ILE A 70 -6.229 -7.781 3.594 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.329 -6.869 0.880 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.220 -5.340 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.584 -6.204 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.135 -6.895 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.185 -3.483 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.584 -3.956 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.055 -4.459 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.985 -5.313 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.539 -4.722 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.994 -4.020 2.889 1.00 0.00 H new ATOM 324 N GLU A 71 -3.968 -6.283 0.443 1.00 0.00 N ATOM 325 CA GLU A 71 -2.599 -5.911 0.134 1.00 0.00 C ATOM 326 C GLU A 71 -2.556 -4.568 -0.565 1.00 0.00 C ATOM 327 O GLU A 71 -3.539 -4.134 -1.171 1.00 0.00 O ATOM 328 CB GLU A 71 -1.953 -6.977 -0.740 1.00 0.00 C ATOM 329 CG GLU A 71 -1.842 -8.317 -0.045 1.00 0.00 C ATOM 330 CD GLU A 71 -1.671 -9.455 -1.018 1.00 0.00 C ATOM 331 OE1 GLU A 71 -2.559 -9.638 -1.877 1.00 0.00 O ATOM 332 OE2 GLU A 71 -0.668 -10.190 -0.914 1.00 0.00 O ATOM 0 H GLU A 71 -4.518 -6.576 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.043 -5.832 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.536 -7.094 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.959 -6.643 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.995 -8.299 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.735 -8.487 0.556 1.00 0.00 H new ATOM 339 N TYR A 72 -1.414 -3.922 -0.473 1.00 0.00 N ATOM 340 CA TYR A 72 -1.223 -2.616 -1.074 1.00 0.00 C ATOM 341 C TYR A 72 -0.021 -2.605 -1.993 1.00 0.00 C ATOM 342 O TYR A 72 1.058 -3.064 -1.625 1.00 0.00 O ATOM 343 CB TYR A 72 -1.054 -1.549 0.002 1.00 0.00 C ATOM 344 CG TYR A 72 -2.362 -1.069 0.566 1.00 0.00 C ATOM 345 CD1 TYR A 72 -3.146 -0.183 -0.154 1.00 0.00 C ATOM 346 CD2 TYR A 72 -2.815 -1.499 1.805 1.00 0.00 C ATOM 347 CE1 TYR A 72 -4.349 0.267 0.346 1.00 0.00 C ATOM 348 CE2 TYR A 72 -4.019 -1.056 2.311 1.00 0.00 C ATOM 349 CZ TYR A 72 -4.782 -0.173 1.579 1.00 0.00 C ATOM 350 OH TYR A 72 -5.987 0.267 2.078 1.00 0.00 O ATOM 0 H TYR A 72 -0.595 -4.283 0.017 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.112 -2.394 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.442 -1.950 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.513 -0.701 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.810 0.160 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.217 -2.190 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.949 0.960 -0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.362 -1.399 3.276 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.488 0.722 1.369 1.00 0.00 H new ATOM 360 N LEU A 73 -0.218 -2.087 -3.191 1.00 0.00 N ATOM 361 CA LEU A 73 0.875 -1.900 -4.120 1.00 0.00 C ATOM 362 C LEU A 73 1.634 -0.659 -3.691 1.00 0.00 C ATOM 363 O LEU A 73 1.137 0.469 -3.819 1.00 0.00 O ATOM 364 CB LEU A 73 0.356 -1.745 -5.553 1.00 0.00 C ATOM 365 CG LEU A 73 1.304 -2.220 -6.674 1.00 0.00 C ATOM 366 CD1 LEU A 73 0.747 -1.845 -8.038 1.00 0.00 C ATOM 367 CD2 LEU A 73 2.706 -1.660 -6.502 1.00 0.00 C ATOM 0 H LEU A 73 -1.128 -1.788 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 73 1.530 -2.771 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.581 -2.295 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.125 -0.693 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 73 1.372 -3.306 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.429 -2.188 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.227 -2.316 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.639 -0.762 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.343 -2.018 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.668 -0.571 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.114 -1.989 -5.546 1.00 0.00 H new ATOM 379 N VAL A 74 2.817 -0.871 -3.162 1.00 0.00 N ATOM 380 CA VAL A 74 3.594 0.207 -2.603 1.00 0.00 C ATOM 381 C VAL A 74 4.621 0.690 -3.607 1.00 0.00 C ATOM 382 O VAL A 74 5.401 -0.097 -4.148 1.00 0.00 O ATOM 383 CB VAL A 74 4.302 -0.225 -1.307 1.00 0.00 C ATOM 384 CG1 VAL A 74 4.956 0.968 -0.638 1.00 0.00 C ATOM 385 CG2 VAL A 74 3.325 -0.909 -0.362 1.00 0.00 C ATOM 0 H VAL A 74 3.263 -1.787 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 74 2.908 1.020 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 74 5.081 -0.943 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.452 0.645 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.690 1.407 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.196 1.711 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.846 -1.206 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.519 -0.219 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.908 -1.792 -0.846 1.00 0.00 H new ATOM 395 N LYS A 75 4.602 1.981 -3.866 1.00 0.00 N ATOM 396 CA LYS A 75 5.554 2.587 -4.765 1.00 0.00 C ATOM 397 C LYS A 75 6.754 3.048 -3.952 1.00 0.00 C ATOM 398 O LYS A 75 6.730 4.116 -3.347 1.00 0.00 O ATOM 399 CB LYS A 75 4.901 3.774 -5.484 1.00 0.00 C ATOM 400 CG LYS A 75 5.674 4.286 -6.688 1.00 0.00 C ATOM 401 CD LYS A 75 5.589 3.319 -7.860 1.00 0.00 C ATOM 402 CE LYS A 75 6.156 3.936 -9.129 1.00 0.00 C ATOM 403 NZ LYS A 75 5.975 3.057 -10.316 1.00 0.00 N ATOM 0 H LYS A 75 3.930 2.633 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 75 5.878 1.869 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.902 3.481 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.779 4.591 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.281 5.257 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.718 4.436 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.135 2.407 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.550 3.034 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.670 4.894 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.218 4.138 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.377 3.520 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.460 2.151 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.961 2.884 -10.468 1.00 0.00 H new ATOM 417 N TRP A 76 7.779 2.218 -3.901 1.00 0.00 N ATOM 418 CA TRP A 76 8.988 2.545 -3.160 1.00 0.00 C ATOM 419 C TRP A 76 9.884 3.444 -4.005 1.00 0.00 C ATOM 420 O TRP A 76 9.613 3.649 -5.180 1.00 0.00 O ATOM 421 CB TRP A 76 9.747 1.260 -2.794 1.00 0.00 C ATOM 422 CG TRP A 76 8.922 0.255 -2.043 1.00 0.00 C ATOM 423 CD1 TRP A 76 7.977 -0.584 -2.559 1.00 0.00 C ATOM 424 CD2 TRP A 76 8.979 -0.028 -0.642 1.00 0.00 C ATOM 425 NE1 TRP A 76 7.430 -1.351 -1.561 1.00 0.00 N ATOM 426 CE2 TRP A 76 8.029 -1.029 -0.376 1.00 0.00 C ATOM 427 CE3 TRP A 76 9.735 0.471 0.415 1.00 0.00 C ATOM 428 CZ2 TRP A 76 7.821 -1.533 0.905 1.00 0.00 C ATOM 429 CZ3 TRP A 76 9.526 -0.031 1.686 1.00 0.00 C ATOM 430 CH2 TRP A 76 8.575 -1.023 1.921 1.00 0.00 C ATOM 0 H TRP A 76 7.801 1.310 -4.364 1.00 0.00 H new ATOM 0 HA TRP A 76 8.710 3.068 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 76 10.120 0.798 -3.708 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.617 1.523 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.700 -0.637 -3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.696 -2.048 -1.684 1.00 0.00 H new ATOM 0 HE3 TRP A 76 10.474 1.240 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.086 -2.303 1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 10.109 0.352 2.511 1.00 0.00 H new ATOM 0 HH2 TRP A 76 8.433 -1.394 2.925 1.00 0.00 H new ATOM 441 N THR A 77 10.937 3.994 -3.418 1.00 0.00 N ATOM 442 CA THR A 77 11.978 4.638 -4.212 1.00 0.00 C ATOM 443 C THR A 77 12.766 3.548 -4.943 1.00 0.00 C ATOM 444 O THR A 77 13.409 3.775 -5.966 1.00 0.00 O ATOM 445 CB THR A 77 12.900 5.518 -3.331 1.00 0.00 C ATOM 446 OG1 THR A 77 13.943 6.108 -4.116 1.00 0.00 O ATOM 447 CG2 THR A 77 13.495 4.721 -2.179 1.00 0.00 C ATOM 0 H THR A 77 11.094 4.009 -2.410 1.00 0.00 H new ATOM 0 HA THR A 77 11.523 5.309 -4.941 1.00 0.00 H new ATOM 0 HB THR A 77 12.286 6.314 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.513 6.661 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.136 5.369 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.692 4.329 -1.555 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.083 3.893 -2.575 1.00 0.00 H new ATOM 455 N ASP A 78 12.646 2.347 -4.399 1.00 0.00 N ATOM 456 CA ASP A 78 13.132 1.116 -5.009 1.00 0.00 C ATOM 457 C ASP A 78 12.095 0.573 -5.992 1.00 0.00 C ATOM 458 O ASP A 78 12.034 -0.633 -6.235 1.00 0.00 O ATOM 459 CB ASP A 78 13.423 0.066 -3.936 1.00 0.00 C ATOM 460 CG ASP A 78 14.581 0.446 -3.036 1.00 0.00 C ATOM 461 OD1 ASP A 78 14.451 1.428 -2.272 1.00 0.00 O ATOM 462 OD2 ASP A 78 15.619 -0.247 -3.078 1.00 0.00 O ATOM 0 H ASP A 78 12.196 2.196 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 78 14.055 1.337 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.530 -0.081 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.642 -0.887 -4.418 1.00 0.00 H new ATOM 467 N MET A 79 11.256 1.477 -6.511 1.00 0.00 N ATOM 468 CA MET A 79 10.029 1.135 -7.251 1.00 0.00 C ATOM 469 C MET A 79 10.248 0.195 -8.435 1.00 0.00 C ATOM 470 O MET A 79 9.276 -0.265 -9.031 1.00 0.00 O ATOM 471 CB MET A 79 9.365 2.413 -7.768 1.00 0.00 C ATOM 472 CG MET A 79 10.242 3.219 -8.720 1.00 0.00 C ATOM 473 SD MET A 79 9.469 4.759 -9.248 1.00 0.00 S ATOM 474 CE MET A 79 9.301 5.601 -7.677 1.00 0.00 C ATOM 0 H MET A 79 11.410 2.482 -6.429 1.00 0.00 H new ATOM 0 HA MET A 79 9.396 0.607 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.438 2.149 -8.278 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.095 3.040 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.190 3.443 -8.231 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.470 2.613 -9.597 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.394 6.676 -7.829 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.324 5.378 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.083 5.262 -6.997 1.00 0.00 H new ATOM 484 N SER A 80 11.492 -0.092 -8.783 1.00 0.00 N ATOM 485 CA SER A 80 11.771 -1.100 -9.794 1.00 0.00 C ATOM 486 C SER A 80 11.213 -2.451 -9.327 1.00 0.00 C ATOM 487 O SER A 80 10.927 -3.336 -10.129 1.00 0.00 O ATOM 488 CB SER A 80 13.282 -1.192 -10.044 1.00 0.00 C ATOM 489 OG SER A 80 13.580 -2.031 -11.149 1.00 0.00 O ATOM 0 H SER A 80 12.318 0.354 -8.385 1.00 0.00 H new ATOM 0 HA SER A 80 11.290 -0.823 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.682 -0.195 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.776 -1.576 -9.152 1.00 0.00 H new ATOM 0 HG SER A 80 14.550 -2.066 -11.281 1.00 0.00 H new ATOM 495 N ASP A 81 11.055 -2.585 -8.013 1.00 0.00 N ATOM 496 CA ASP A 81 10.469 -3.777 -7.410 1.00 0.00 C ATOM 497 C ASP A 81 9.162 -3.447 -6.691 1.00 0.00 C ATOM 498 O ASP A 81 8.914 -3.960 -5.600 1.00 0.00 O ATOM 499 CB ASP A 81 11.441 -4.436 -6.423 1.00 0.00 C ATOM 500 CG ASP A 81 12.541 -5.220 -7.109 1.00 0.00 C ATOM 501 OD1 ASP A 81 12.227 -6.202 -7.815 1.00 0.00 O ATOM 502 OD2 ASP A 81 13.724 -4.856 -6.948 1.00 0.00 O ATOM 0 H ASP A 81 11.329 -1.871 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 81 10.261 -4.475 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 81 11.889 -3.666 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.885 -5.102 -5.764 1.00 0.00 H new ATOM 507 N ALA A 82 8.352 -2.557 -7.278 1.00 0.00 N ATOM 508 CA ALA A 82 7.050 -2.203 -6.701 1.00 0.00 C ATOM 509 C ALA A 82 6.261 -3.460 -6.361 1.00 0.00 C ATOM 510 O ALA A 82 5.911 -4.247 -7.243 1.00 0.00 O ATOM 511 CB ALA A 82 6.247 -1.328 -7.650 1.00 0.00 C ATOM 0 H ALA A 82 8.574 -2.072 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 82 7.233 -1.638 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.288 -1.082 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.798 -0.410 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.079 -1.864 -8.584 1.00 0.00 H new ATOM 517 N THR A 83 5.978 -3.634 -5.084 1.00 0.00 N ATOM 518 CA THR A 83 5.444 -4.891 -4.589 1.00 0.00 C ATOM 519 C THR A 83 4.172 -4.674 -3.781 1.00 0.00 C ATOM 520 O THR A 83 3.987 -3.625 -3.154 1.00 0.00 O ATOM 521 CB THR A 83 6.507 -5.631 -3.734 1.00 0.00 C ATOM 522 OG1 THR A 83 5.956 -6.807 -3.123 1.00 0.00 O ATOM 523 CG2 THR A 83 7.078 -4.718 -2.659 1.00 0.00 C ATOM 0 H THR A 83 6.109 -2.919 -4.368 1.00 0.00 H new ATOM 0 HA THR A 83 5.192 -5.509 -5.451 1.00 0.00 H new ATOM 0 HB THR A 83 7.311 -5.929 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.967 -6.705 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.820 -5.263 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.548 -3.854 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.275 -4.382 -2.003 1.00 0.00 H new ATOM 531 N TRP A 84 3.284 -5.659 -3.839 1.00 0.00 N ATOM 532 CA TRP A 84 2.080 -5.660 -3.028 1.00 0.00 C ATOM 533 C TRP A 84 2.412 -6.166 -1.635 1.00 0.00 C ATOM 534 O TRP A 84 2.611 -7.363 -1.427 1.00 0.00 O ATOM 535 CB TRP A 84 1.000 -6.548 -3.657 1.00 0.00 C ATOM 536 CG TRP A 84 0.520 -6.067 -4.991 1.00 0.00 C ATOM 537 CD1 TRP A 84 1.088 -6.308 -6.205 1.00 0.00 C ATOM 538 CD2 TRP A 84 -0.635 -5.262 -5.242 1.00 0.00 C ATOM 539 NE1 TRP A 84 0.355 -5.701 -7.195 1.00 0.00 N ATOM 540 CE2 TRP A 84 -0.705 -5.053 -6.629 1.00 0.00 C ATOM 541 CE3 TRP A 84 -1.614 -4.697 -4.428 1.00 0.00 C ATOM 542 CZ2 TRP A 84 -1.717 -4.303 -7.220 1.00 0.00 C ATOM 543 CZ3 TRP A 84 -2.619 -3.953 -5.015 1.00 0.00 C ATOM 544 CH2 TRP A 84 -2.663 -3.760 -6.399 1.00 0.00 C ATOM 0 H TRP A 84 3.380 -6.473 -4.446 1.00 0.00 H new ATOM 0 HA TRP A 84 1.696 -4.641 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.393 -7.559 -3.766 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.151 -6.608 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.983 -6.891 -6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.568 -5.730 -8.192 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.588 -4.838 -3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.753 -4.156 -8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.385 -3.512 -4.394 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.460 -3.170 -6.827 1.00 0.00 H new ATOM 555 N GLU A 85 2.469 -5.252 -0.687 1.00 0.00 N ATOM 556 CA GLU A 85 2.817 -5.595 0.678 1.00 0.00 C ATOM 557 C GLU A 85 1.580 -5.587 1.563 1.00 0.00 C ATOM 558 O GLU A 85 0.594 -4.913 1.268 1.00 0.00 O ATOM 559 CB GLU A 85 3.862 -4.617 1.221 1.00 0.00 C ATOM 560 CG GLU A 85 5.191 -4.690 0.496 1.00 0.00 C ATOM 561 CD GLU A 85 5.860 -6.045 0.623 1.00 0.00 C ATOM 562 OE1 GLU A 85 6.347 -6.370 1.725 1.00 0.00 O ATOM 563 OE2 GLU A 85 5.913 -6.783 -0.384 1.00 0.00 O ATOM 0 H GLU A 85 2.278 -4.261 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 85 3.240 -6.600 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.472 -3.602 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.023 -4.820 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.036 -4.465 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.857 -3.923 0.891 1.00 0.00 H new ATOM 570 N PRO A 86 1.618 -6.357 2.654 1.00 0.00 N ATOM 571 CA PRO A 86 0.523 -6.422 3.617 1.00 0.00 C ATOM 572 C PRO A 86 0.469 -5.187 4.518 1.00 0.00 C ATOM 573 O PRO A 86 1.512 -4.691 4.945 1.00 0.00 O ATOM 574 CB PRO A 86 0.849 -7.677 4.430 1.00 0.00 C ATOM 575 CG PRO A 86 2.335 -7.806 4.356 1.00 0.00 C ATOM 576 CD PRO A 86 2.745 -7.236 3.023 1.00 0.00 C ATOM 0 HA PRO A 86 -0.453 -6.456 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.512 -7.578 5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.355 -8.556 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.813 -7.266 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.639 -8.849 4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.679 -6.679 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.899 -8.021 2.283 1.00 0.00 H new ATOM 584 N GLN A 87 -0.747 -4.696 4.770 1.00 0.00 N ATOM 585 CA GLN A 87 -0.998 -3.455 5.523 1.00 0.00 C ATOM 586 C GLN A 87 -0.042 -3.250 6.696 1.00 0.00 C ATOM 587 O GLN A 87 0.535 -2.174 6.850 1.00 0.00 O ATOM 588 CB GLN A 87 -2.426 -3.460 6.062 1.00 0.00 C ATOM 589 CG GLN A 87 -3.502 -3.442 4.992 1.00 0.00 C ATOM 590 CD GLN A 87 -4.885 -3.652 5.576 1.00 0.00 C ATOM 591 OE1 GLN A 87 -5.051 -4.355 6.573 1.00 0.00 O ATOM 592 NE2 GLN A 87 -5.886 -3.036 4.971 1.00 0.00 N ATOM 0 H GLN A 87 -1.602 -5.154 4.453 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.838 -2.637 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.564 -4.345 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.560 -2.593 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.472 -2.489 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.296 -4.221 4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.708 -2.462 4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.836 -3.135 5.328 1.00 0.00 H new ATOM 601 N ASP A 88 0.115 -4.285 7.513 1.00 0.00 N ATOM 602 CA ASP A 88 0.924 -4.203 8.732 1.00 0.00 C ATOM 603 C ASP A 88 2.382 -3.861 8.430 1.00 0.00 C ATOM 604 O ASP A 88 3.066 -3.249 9.250 1.00 0.00 O ATOM 605 CB ASP A 88 0.838 -5.517 9.512 1.00 0.00 C ATOM 606 CG ASP A 88 -0.501 -5.700 10.202 1.00 0.00 C ATOM 607 OD1 ASP A 88 -1.527 -5.847 9.502 1.00 0.00 O ATOM 608 OD2 ASP A 88 -0.535 -5.695 11.451 1.00 0.00 O ATOM 0 H ASP A 88 -0.309 -5.199 7.355 1.00 0.00 H new ATOM 0 HA ASP A 88 0.519 -3.395 9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.009 -6.351 8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.633 -5.546 10.257 1.00 0.00 H new ATOM 613 N ASN A 89 2.852 -4.249 7.255 1.00 0.00 N ATOM 614 CA ASN A 89 4.203 -3.909 6.821 1.00 0.00 C ATOM 615 C ASN A 89 4.198 -2.547 6.141 1.00 0.00 C ATOM 616 O ASN A 89 5.137 -1.758 6.273 1.00 0.00 O ATOM 617 CB ASN A 89 4.733 -4.952 5.837 1.00 0.00 C ATOM 618 CG ASN A 89 6.152 -4.653 5.391 1.00 0.00 C ATOM 619 OD1 ASN A 89 7.001 -4.272 6.196 1.00 0.00 O ATOM 620 ND2 ASN A 89 6.410 -4.780 4.099 1.00 0.00 N ATOM 0 H ASN A 89 2.319 -4.800 6.582 1.00 0.00 H new ATOM 0 HA ASN A 89 4.848 -3.886 7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.701 -5.937 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.081 -4.990 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.339 -4.559 3.740 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.680 -5.099 3.462 1.00 0.00 H new ATOM 627 N VAL A 90 3.122 -2.284 5.415 1.00 0.00 N ATOM 628 CA VAL A 90 2.989 -1.065 4.634 1.00 0.00 C ATOM 629 C VAL A 90 2.896 0.161 5.542 1.00 0.00 C ATOM 630 O VAL A 90 2.228 0.135 6.575 1.00 0.00 O ATOM 631 CB VAL A 90 1.750 -1.129 3.716 1.00 0.00 C ATOM 632 CG1 VAL A 90 1.684 0.093 2.823 1.00 0.00 C ATOM 633 CG2 VAL A 90 1.776 -2.386 2.872 1.00 0.00 C ATOM 0 H VAL A 90 2.318 -2.909 5.351 1.00 0.00 H new ATOM 0 HA VAL A 90 3.881 -0.975 4.014 1.00 0.00 H new ATOM 0 HB VAL A 90 0.862 -1.150 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.804 0.029 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.621 0.990 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.580 0.140 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.894 -2.413 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.674 -2.391 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.779 -3.261 3.522 1.00 0.00 H new ATOM 643 N ASP A 91 3.601 1.221 5.157 1.00 0.00 N ATOM 644 CA ASP A 91 3.606 2.467 5.916 1.00 0.00 C ATOM 645 C ASP A 91 2.200 3.034 6.074 1.00 0.00 C ATOM 646 O ASP A 91 1.495 3.291 5.093 1.00 0.00 O ATOM 647 CB ASP A 91 4.507 3.503 5.249 1.00 0.00 C ATOM 648 CG ASP A 91 4.483 4.827 5.985 1.00 0.00 C ATOM 649 OD1 ASP A 91 5.129 4.930 7.051 1.00 0.00 O ATOM 650 OD2 ASP A 91 3.826 5.768 5.501 1.00 0.00 O ATOM 0 H ASP A 91 4.180 1.241 4.318 1.00 0.00 H new ATOM 0 HA ASP A 91 3.996 2.238 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.529 3.126 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.186 3.654 4.218 1.00 0.00 H new ATOM 655 N SER A 92 1.827 3.257 7.324 1.00 0.00 N ATOM 656 CA SER A 92 0.475 3.659 7.677 1.00 0.00 C ATOM 657 C SER A 92 0.180 5.081 7.218 1.00 0.00 C ATOM 658 O SER A 92 -0.970 5.430 6.948 1.00 0.00 O ATOM 659 CB SER A 92 0.278 3.539 9.191 1.00 0.00 C ATOM 660 OG SER A 92 1.243 4.312 9.892 1.00 0.00 O ATOM 0 H SER A 92 2.454 3.164 8.123 1.00 0.00 H new ATOM 0 HA SER A 92 -0.222 2.995 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.725 3.872 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.357 2.494 9.490 1.00 0.00 H new ATOM 0 HG SER A 92 1.097 4.221 10.857 1.00 0.00 H new ATOM 666 N THR A 93 1.225 5.889 7.112 1.00 0.00 N ATOM 667 CA THR A 93 1.076 7.273 6.703 1.00 0.00 C ATOM 668 C THR A 93 0.624 7.338 5.252 1.00 0.00 C ATOM 669 O THR A 93 -0.347 8.017 4.920 1.00 0.00 O ATOM 670 CB THR A 93 2.401 8.040 6.869 1.00 0.00 C ATOM 671 OG1 THR A 93 2.888 7.869 8.207 1.00 0.00 O ATOM 672 CG2 THR A 93 2.218 9.521 6.579 1.00 0.00 C ATOM 0 H THR A 93 2.186 5.607 7.305 1.00 0.00 H new ATOM 0 HA THR A 93 0.324 7.739 7.340 1.00 0.00 H new ATOM 0 HB THR A 93 3.121 7.639 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.732 8.356 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.170 10.037 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.867 9.651 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.485 9.939 7.269 1.00 0.00 H new ATOM 680 N LEU A 94 1.322 6.598 4.404 1.00 0.00 N ATOM 681 CA LEU A 94 0.994 6.535 2.990 1.00 0.00 C ATOM 682 C LEU A 94 -0.355 5.862 2.789 1.00 0.00 C ATOM 683 O LEU A 94 -1.171 6.313 1.989 1.00 0.00 O ATOM 684 CB LEU A 94 2.080 5.769 2.243 1.00 0.00 C ATOM 685 CG LEU A 94 3.499 6.258 2.509 1.00 0.00 C ATOM 686 CD1 LEU A 94 4.509 5.289 1.928 1.00 0.00 C ATOM 687 CD2 LEU A 94 3.702 7.655 1.943 1.00 0.00 C ATOM 0 H LEU A 94 2.125 6.029 4.674 1.00 0.00 H new ATOM 0 HA LEU A 94 0.936 7.549 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.016 4.716 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.882 5.834 1.173 1.00 0.00 H new ATOM 0 HG LEU A 94 3.651 6.306 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.517 5.652 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.379 4.309 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.358 5.208 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.721 7.984 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.531 7.640 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.999 8.343 2.412 1.00 0.00 H new ATOM 699 N VAL A 95 -0.589 4.786 3.534 1.00 0.00 N ATOM 700 CA VAL A 95 -1.861 4.077 3.470 1.00 0.00 C ATOM 701 C VAL A 95 -3.017 5.008 3.762 1.00 0.00 C ATOM 702 O VAL A 95 -4.013 5.005 3.046 1.00 0.00 O ATOM 703 CB VAL A 95 -1.898 2.884 4.445 1.00 0.00 C ATOM 704 CG1 VAL A 95 -3.314 2.361 4.642 1.00 0.00 C ATOM 705 CG2 VAL A 95 -1.019 1.788 3.912 1.00 0.00 C ATOM 0 H VAL A 95 0.085 4.387 4.188 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.960 3.694 2.454 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.535 3.222 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.298 1.520 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.942 3.154 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.717 2.033 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.040 0.940 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.382 1.474 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.003 2.154 3.819 1.00 0.00 H new ATOM 715 N LEU A 96 -2.865 5.825 4.791 1.00 0.00 N ATOM 716 CA LEU A 96 -3.888 6.788 5.160 1.00 0.00 C ATOM 717 C LEU A 96 -4.211 7.696 3.975 1.00 0.00 C ATOM 718 O LEU A 96 -5.354 8.118 3.790 1.00 0.00 O ATOM 719 CB LEU A 96 -3.413 7.620 6.352 1.00 0.00 C ATOM 720 CG LEU A 96 -4.421 8.639 6.888 1.00 0.00 C ATOM 721 CD1 LEU A 96 -5.673 7.940 7.392 1.00 0.00 C ATOM 722 CD2 LEU A 96 -3.795 9.473 7.994 1.00 0.00 C ATOM 0 H LEU A 96 -2.038 5.840 5.388 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.794 6.252 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.143 6.942 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.505 8.150 6.064 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.705 9.303 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.377 8.682 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.134 7.385 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.407 7.251 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.525 10.193 8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.483 8.820 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.928 10.005 7.602 1.00 0.00 H new ATOM 734 N LEU A 97 -3.202 7.947 3.149 1.00 0.00 N ATOM 735 CA LEU A 97 -3.342 8.834 2.003 1.00 0.00 C ATOM 736 C LEU A 97 -4.086 8.134 0.878 1.00 0.00 C ATOM 737 O LEU A 97 -4.725 8.771 0.046 1.00 0.00 O ATOM 738 CB LEU A 97 -1.963 9.283 1.515 1.00 0.00 C ATOM 739 CG LEU A 97 -1.051 9.848 2.602 1.00 0.00 C ATOM 740 CD1 LEU A 97 0.285 10.264 2.013 1.00 0.00 C ATOM 741 CD2 LEU A 97 -1.721 11.017 3.304 1.00 0.00 C ATOM 0 H LEU A 97 -2.271 7.544 3.254 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.914 9.709 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.464 8.434 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.096 10.040 0.742 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.868 9.068 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.922 10.664 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.769 9.398 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.125 11.029 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.057 11.407 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.936 11.802 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.652 10.682 3.762 1.00 0.00 H new ATOM 753 N TYR A 98 -4.004 6.815 0.861 1.00 0.00 N ATOM 754 CA TYR A 98 -4.691 6.040 -0.155 1.00 0.00 C ATOM 755 C TYR A 98 -6.111 5.727 0.301 1.00 0.00 C ATOM 756 O TYR A 98 -7.066 5.877 -0.461 1.00 0.00 O ATOM 757 CB TYR A 98 -3.935 4.748 -0.474 1.00 0.00 C ATOM 758 CG TYR A 98 -4.476 4.040 -1.697 1.00 0.00 C ATOM 759 CD1 TYR A 98 -4.027 4.370 -2.969 1.00 0.00 C ATOM 760 CD2 TYR A 98 -5.447 3.053 -1.581 1.00 0.00 C ATOM 761 CE1 TYR A 98 -4.528 3.740 -4.089 1.00 0.00 C ATOM 762 CE2 TYR A 98 -5.951 2.417 -2.698 1.00 0.00 C ATOM 763 CZ TYR A 98 -5.488 2.765 -3.950 1.00 0.00 C ATOM 764 OH TYR A 98 -5.985 2.135 -5.066 1.00 0.00 O ATOM 0 H TYR A 98 -3.473 6.262 1.534 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.732 6.635 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.881 4.978 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.992 4.078 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.272 5.134 -3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.813 2.779 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -4.168 4.011 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.704 1.650 -2.592 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.654 1.472 -4.796 1.00 0.00 H new ATOM 774 N GLN A 99 -6.240 5.295 1.553 1.00 0.00 N ATOM 775 CA GLN A 99 -7.546 4.981 2.124 1.00 0.00 C ATOM 776 C GLN A 99 -8.433 6.217 2.214 1.00 0.00 C ATOM 777 O GLN A 99 -9.654 6.112 2.118 1.00 0.00 O ATOM 778 CB GLN A 99 -7.400 4.341 3.503 1.00 0.00 C ATOM 779 CG GLN A 99 -6.617 3.042 3.481 1.00 0.00 C ATOM 780 CD GLN A 99 -6.778 2.222 4.747 1.00 0.00 C ATOM 781 OE1 GLN A 99 -7.018 2.881 5.870 1.00 0.00 O flip ATOM 782 NE2 GLN A 99 -6.701 0.993 4.708 1.00 0.00 N flip ATOM 0 H GLN A 99 -5.456 5.155 2.191 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.026 4.268 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.905 5.045 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.391 4.153 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.939 2.446 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.560 3.265 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.515 0.522 3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.824 0.447 5.561 1.00 0.00 H new ATOM 791 N GLN A 100 -7.829 7.390 2.382 1.00 0.00 N ATOM 792 CA GLN A 100 -8.602 8.627 2.405 1.00 0.00 C ATOM 793 C GLN A 100 -9.218 8.893 1.032 1.00 0.00 C ATOM 794 O GLN A 100 -10.167 9.665 0.899 1.00 0.00 O ATOM 795 CB GLN A 100 -7.730 9.813 2.827 1.00 0.00 C ATOM 796 CG GLN A 100 -6.776 10.294 1.745 1.00 0.00 C ATOM 797 CD GLN A 100 -5.881 11.425 2.211 1.00 0.00 C ATOM 798 OE1 GLN A 100 -5.537 11.420 3.488 1.00 0.00 O flip ATOM 799 NE2 GLN A 100 -5.491 12.287 1.428 1.00 0.00 N flip ATOM 0 H GLN A 100 -6.823 7.510 2.502 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.401 8.512 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.377 10.640 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.152 9.531 3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.157 9.459 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.352 10.625 0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.779 12.256 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.879 13.034 1.756 1.00 0.00 H new ATOM 808 N GLN A 101 -8.671 8.241 0.011 1.00 0.00 N ATOM 809 CA GLN A 101 -9.154 8.404 -1.352 1.00 0.00 C ATOM 810 C GLN A 101 -10.101 7.268 -1.726 1.00 0.00 C ATOM 811 O GLN A 101 -10.531 7.155 -2.875 1.00 0.00 O ATOM 812 CB GLN A 101 -7.980 8.440 -2.331 1.00 0.00 C ATOM 813 CG GLN A 101 -7.017 9.590 -2.088 1.00 0.00 C ATOM 814 CD GLN A 101 -5.865 9.604 -3.076 1.00 0.00 C ATOM 815 OE1 GLN A 101 -5.451 8.430 -3.534 1.00 0.00 O flip ATOM 816 NE2 GLN A 101 -5.351 10.664 -3.424 1.00 0.00 N flip ATOM 0 H GLN A 101 -7.889 7.592 0.105 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.696 9.348 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.433 7.499 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.368 8.511 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -7.559 10.533 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.621 9.520 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.698 11.547 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -4.577 10.662 -4.088 1.00 0.00 H new ATOM 825 N GLN A 102 -10.415 6.431 -0.750 1.00 0.00 N ATOM 826 CA GLN A 102 -11.321 5.310 -0.962 1.00 0.00 C ATOM 827 C GLN A 102 -12.765 5.760 -0.780 1.00 0.00 C ATOM 828 O GLN A 102 -13.039 6.705 -0.039 1.00 0.00 O ATOM 829 CB GLN A 102 -10.998 4.174 0.013 1.00 0.00 C ATOM 830 CG GLN A 102 -9.636 3.539 -0.219 1.00 0.00 C ATOM 831 CD GLN A 102 -9.545 2.830 -1.554 1.00 0.00 C ATOM 832 OE1 GLN A 102 -9.852 1.646 -1.657 1.00 0.00 O ATOM 833 NE2 GLN A 102 -9.117 3.545 -2.583 1.00 0.00 N ATOM 0 H GLN A 102 -10.055 6.506 0.201 1.00 0.00 H new ATOM 0 HA GLN A 102 -11.191 4.945 -1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -11.041 4.558 1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.766 3.406 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.866 4.309 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -9.430 2.828 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.872 4.527 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.032 3.114 -3.504 1.00 0.00 H new ATOM 842 N PRO A 103 -13.705 5.110 -1.478 1.00 0.00 N ATOM 843 CA PRO A 103 -15.132 5.412 -1.356 1.00 0.00 C ATOM 844 C PRO A 103 -15.677 5.012 0.008 1.00 0.00 C ATOM 845 O PRO A 103 -16.052 3.859 0.233 1.00 0.00 O ATOM 846 CB PRO A 103 -15.789 4.583 -2.470 1.00 0.00 C ATOM 847 CG PRO A 103 -14.667 4.115 -3.337 1.00 0.00 C ATOM 848 CD PRO A 103 -13.459 4.039 -2.451 1.00 0.00 C ATOM 0 HA PRO A 103 -15.332 6.479 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.343 3.740 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.499 5.183 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -14.892 3.142 -3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.500 4.805 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.371 3.066 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.537 4.202 -3.009 1.00 0.00 H new ATOM 856 N MET A 104 -15.713 5.979 0.912 1.00 0.00 N ATOM 857 CA MET A 104 -16.190 5.759 2.267 1.00 0.00 C ATOM 858 C MET A 104 -17.706 5.603 2.265 1.00 0.00 C ATOM 859 O MET A 104 -18.289 4.981 3.152 1.00 0.00 O ATOM 860 CB MET A 104 -15.754 6.925 3.152 1.00 0.00 C ATOM 861 CG MET A 104 -16.041 6.723 4.632 1.00 0.00 C ATOM 862 SD MET A 104 -15.217 7.945 5.674 1.00 0.00 S ATOM 863 CE MET A 104 -13.499 7.568 5.330 1.00 0.00 C ATOM 0 H MET A 104 -15.413 6.936 0.727 1.00 0.00 H new ATOM 0 HA MET A 104 -15.759 4.841 2.667 1.00 0.00 H new ATOM 0 HB2 MET A 104 -14.684 7.088 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 104 -16.258 7.831 2.815 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.117 6.775 4.800 1.00 0.00 H new ATOM 0 HG3 MET A 104 -15.720 5.724 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.937 7.547 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 104 -13.430 6.595 4.843 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.083 8.332 4.674 1.00 0.00 H new ATOM 873 N ASN A 105 -18.335 6.179 1.253 1.00 0.00 N ATOM 874 CA ASN A 105 -19.751 5.954 0.999 1.00 0.00 C ATOM 875 C ASN A 105 -19.918 5.484 -0.437 1.00 0.00 C ATOM 876 O ASN A 105 -20.280 4.334 -0.684 1.00 0.00 O ATOM 877 CB ASN A 105 -20.568 7.224 1.245 1.00 0.00 C ATOM 878 CG ASN A 105 -22.055 7.012 1.024 1.00 0.00 C ATOM 879 OD1 ASN A 105 -22.584 5.918 1.234 1.00 0.00 O ATOM 880 ND2 ASN A 105 -22.737 8.058 0.592 1.00 0.00 N ATOM 0 H ASN A 105 -17.885 6.810 0.590 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.121 5.193 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -20.401 7.567 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.215 8.013 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.739 7.978 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.261 8.946 0.431 1.00 0.00 H new ATOM 887 N GLU A 106 -19.619 6.374 -1.375 1.00 0.00 N ATOM 888 CA GLU A 106 -19.601 6.037 -2.791 1.00 0.00 C ATOM 889 C GLU A 106 -18.991 7.194 -3.579 1.00 0.00 C ATOM 890 O GLU A 106 -19.750 8.050 -4.077 1.00 0.00 O ATOM 891 CB GLU A 106 -21.012 5.726 -3.304 1.00 0.00 C ATOM 892 CG GLU A 106 -21.033 5.130 -4.706 1.00 0.00 C ATOM 893 CD GLU A 106 -20.332 3.789 -4.785 1.00 0.00 C ATOM 894 OE1 GLU A 106 -19.099 3.768 -4.955 1.00 0.00 O ATOM 895 OE2 GLU A 106 -21.017 2.749 -4.691 1.00 0.00 O ATOM 896 OXT GLU A 106 -17.745 7.262 -3.662 1.00 0.00 O ATOM 0 H GLU A 106 -19.383 7.346 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.994 5.142 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.495 5.032 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.602 6.643 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.067 5.014 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -20.557 5.825 -5.398 1.00 0.00 H new TER 903 GLU A 106